CHEBI:176528 - 3-oxopropane-1-sulfonate

ChEBI IDCHEBI:176528
ChEBI Name3-oxopropane-1-sulfonate
Stars
DefinitionAn organosulfonate oxoanion that is the conjugate base of 3-oxopropane-1-sulfonic acid, obtained by deprotonation of the sulfo group; major species at pH 7.3.
Last Modified11 August 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC3H5O4S
Net Charge-1
Average Mass137.136
Monoisotopic Mass136.99140
SMILES[H]C(=O)CCS(=O)(=O)[O-]
InChIInChI=1S/C3H6O4S/c4-2-1-3-8(5,6)7/h2H,1,3H2,(H,5,6,7)/p-1
InChIKeyCZJYONJVHLMKCY-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3-oxopropane-1-sulfonate (CHEBI:176528) is a alkanesulfonate oxoanion (CHEBI:134249)
3-oxopropane-1-sulfonate (CHEBI:176528) is conjugate base of 3-oxopropane-1-sulfonic acid (CHEBI:177366)
Incoming Relation(s)
3-oxopropane-1-sulfonic acid (CHEBI:177366) is conjugate acid of 3-oxopropane-1-sulfonate (CHEBI:176528)
IUPAC Name 
3-oxopropane-1-sulfonate
Synonyms  Source
3-oxopropane-1-sulfonic acid(1−)ChEBI
3-oxopropane-1-sulfonic acid anionChEBI
3-sulfonatopropanalChEBI
3-sulfopropaldehyde(1−)ChEBI
3-sulfopropanal(1−)ChEBI
3-sulfopropionaldehyde(1−)ChEBI
UniProt Name  Source
3-oxopropane-1-sulfonateUniProt
Manual XrefsDatabases
CPD-11726MetaCyc
Citations